Dynamics of silica-supported catalysts determined by combining solid-state NMR spectroscopy and DFT calculations
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The new mixed-metal complex {anti-[(p-cymene)RuCl]-m-[k 2-P,P';k 1-P''-(PPh2CH2)3CMe]-[AuCl]}PF6 and its cluster deriv. {anti-[(p-cymene)RuCl]-m-[k 2-P,P';k 1-P''-(PPh2CH2)3CMe]-[AuPt3(CO)3(PCy3)3]}(PF6)2 have been prepd. and characterized. Notably, NMR sp ...
The phenomenon of magnetism is one of the key components of today's technological progress. Magnetic interactions and magnetic materials are essential for the scientific disciplines of physics, chemistry and biology, making this subject truly multidiscipli ...
The synthesis and characterization of a new metal chelator, 4-(S)-hydroxymethyl-3,6,10-tri(carboxymethyl)-3,6,10-triazadodecanedioic acid (H5EPTPACH2OH), is reported. Protonation constants for the ligand H5EPTPACH2OH and for the previously reported H5EPTPA ...
The Wien2k code is widely used for the calculation of electron energy loss spectra. Low loss spectra can be calculated with the OPTIC package while core loss spectra are calculated with the TELNES program. A new version, TELNES.2, takes into account the ef ...
A general protocol for the structural characterization of paramagnetic molecular solids using solid-state NMR is provided and illustrated by the characterization of a high-spin FeII catalyst precursor. We show how good NMR performance can be obtained on a ...
Water-protein interactions play a major role in protein folding, structure, and function, and solid-state NMR has recently been shown to be a powerful tool for the site-resolved observation of these interactions in solid proteins. In this article we report ...
Both industrial and biochemical ammonia syntheses are thought to rely on the cooperation of multiple metals in breaking the strong triple bond of dinitrogen. Such multimetallic cooperation for dinitrogen cleavage is also the general rule for dinitrogen red ...
The robustness of the refocused INADEQUATE MAS NMR pulse sequence for probing through-bond connectivities has been demonstrated in a large range of solid-state applications. This pulse sequence nevertheless suffers from artifacts when applied to multispin ...
Previous state-selected spectra of methanol in the 5ν1 OH stretch overtone region [O. V. Boyarkin, T. R. Rizzo, and D. S. Perry, J. Chem. Phys. 110 (23), 11346 (1999)] revealed structure indicating intramolecular vibrational redistribution (IVR) on three t ...
We present a new photon echo set-up operating in the UV range and our 1st results of photon echo peak shift (PEPS) expts. of a small non-polar dye mol., p-terphenyl (pTP), in 3 different solvents: EtOH, MeOH, and 2-propanol. The expts. show the feasibility ...